SCHEMBL8516131

SCHEMBL8516131

CCOc1ccc([O])cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
AR P10275 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 2/20 0.42
PRNP P04156 1/20 0.42
ALOX15 P16050 1/20 0.42
BRCA1 P38398 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4694901 0.80 AR (0.57) XDHALDH1A1HPGDARRAB9A
SCHEMBL3027435 0.79 ALDH1A1 (0.61) ALDH1A1ARNPC1RAB9AUSP2
SCHEMBL17101854 0.79 KDM4E (0.66) XDHALDH1A1HPGDARHSD17B10
SCHEMBL22272202 0.79 TRPV4 (0.47) XDHALDH1A1HPGDARHSD17B10
SCHEMBL13485290 0.79 AR (0.49) XDHALDH1A1HPGDAR
SCHEMBL11124624 0.79 XDH (0.43) XDHALDH1A1HPGDARHSD17B10
SCHEMBL1197763 0.79 MAPT (0.54) XDHALDH1A1HPGDARMAPT
SCHEMBL392560 0.79 MAOB (0.47) XDHALDH1A1HPGDARRAB9A
SCHEMBL14117410 0.79 XDH (0.43) XDHALDH1A1HPGDARHSD17B10
SCHEMBL5901353 0.79 XDH (0.46) XDHALDH1A1HPGDARNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11140903-B2 Fungicidal compositions and methods BAYER CROPSCIENCE LP (US) 2021-10-12 US disclosed
US-10390476-B2 Fungicidal compositions and methods BAYER CROPSCIENCE LP (US) 2019-08-27 US disclosed
US-20180249623-A1 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP 2018-09-06 US disclosed
EP-2642854-B1 METHOD FOR REDUCING THE SUDDEN DEATH SYNDROME OF SOYBEAN USING FLUOPYRAM BAYER IP GMBH (DE) 2017-07-19 EP disclosed
US-20130324400-A1 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP (US) 2013-12-05 US disclosed
EP-2642854-A2 FUNGICIDAL COMPOSITIONS AND METHODS Bayer Intellectual Property GmbH (DE) 2013-10-02 EP disclosed
WO-2012071520-A2 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP (US) 2012-05-31 WO disclosed
US-4474968-A Cyclopentene derivatives THE UPJOHN COMPANY (US) 1984-10-02 US disclosed
US-4458089-A ANTITUMOR AGENTS, MICROBIOCIDES THE UPJOHN COMPANY (US) 1984-07-03 US disclosed
US-4458083-A ANTITUMOR AGENTS, MICROBIOCIDES THE UPJOHN COMPANY (US) 1984-07-03 US disclosed
US-4458084-A Cyclopentene derivatives THE UPJOHN COMPANY (US) 1984-07-03 US disclosed
US-4208409-A N-[(phosphinyl or phosphinothioyl)amino]thio-methylcarbamates and pesticidal methods THE UPJOHN COMPANY (US) 1980-06-17 US disclosed
US-4201733-A PESTICIDES THE UPJOHN COMPANY (US) 1980-05-06 US disclosed
US-4081536-A N-[(phosphinyl) amino]thio- and N-[(phosphinothioyl)amino]-thio-methylcarbamates and methods for controlling insects THE UPJOHN COMPANY (US) 1978-03-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180249623-A1 FUNGICIDAL COMPOSITIONS AND METHODS CASP3, CASP9, CASP7 XDH 319/4885ALDH1A1 1984/4885HPGD 1456/4885
US-20130324400-A1 FUNGICIDAL COMPOSITIONS AND METHODS CASP3, CASP9, CASP7 XDH 319/4885ALDH1A1 1984/4885HPGD 1456/4885
US-10390476-B2 Fungicidal compositions and methods CASP3, CASP9, CASP7 XDH 319/4885ALDH1A1 1984/4885HPGD 1456/4885
US-11140903-B2 Fungicidal compositions and methods CASP3, CASP9, CASP7 XDH 319/4885ALDH1A1 1984/4885HPGD 1456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.